sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
Cavities are compared using Shaper.
For more information, please see the following publication:
Desaphy J. et al. Comparison and Druggability Prediction of protein-Ligand Binding sites from pharmacophore-annotated cavity shapes J. Chem. Inf. Model., 2012, 52(8), pp2287-2299
| PDB ID | HET | Uniprot Name | EC Number |
|---|---|---|---|
| 2fhy | A37 | Fructose-1,6-bisphosphatase 1 | 3.1.3.11 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2fhy | A37 | Fructose-1,6-bisphosphatase 1 | 3.1.3.11 | 1.000 | |
| 2y5k | YCU | Fructose-1,6-bisphosphatase 1 | 3.1.3.11 | 0.614 | |
| 2wbd | RO5 | Fructose-1,6-bisphosphatase 1 | 3.1.3.11 | 0.588 | |
| 2wbb | RO3 | Fructose-1,6-bisphosphatase 1 | 3.1.3.11 | 0.554 | |
| 1lev | CLI | Fructose-1,6-bisphosphatase 1 | 3.1.3.11 | 0.502 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.478 | |
| 4jvf | 17X | Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | / | 0.470 | |
| 3kc0 | 2T5 | Fructose-1,6-bisphosphatase 1 | 3.1.3.11 | 0.466 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.462 | |
| 4dh6 | 0KN | Beta-secretase 1 | 3.4.23.46 | 0.461 | |
| 3b6z | CO7 | Enoyl reductase LovC | 1 | 0.460 | |
| 3wfj | NAD | 2-dehydropantoate 2-reductase | / | 0.460 | |
| 3oqk | S52 | Renin | 3.4.23.15 | 0.459 | |
| 4bii | PYW | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.459 | |
| 4ktk | KTK | Cytochrome P450 | / | 0.459 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.459 | |
| 2j3j | HC4 | NADPH-dependent oxidoreductase 2-alkenal reductase | 1.3.1.74 | 0.457 | |
| 3czr | 3CZ | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.457 | |
| 3kbz | 2T4 | Fructose-1,6-bisphosphatase 1 | 3.1.3.11 | 0.457 | |
| 2p33 | J07 | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.456 | |
| 3sp6 | IL2 | Peroxisome proliferator-activated receptor alpha | / | 0.456 | |
| 4ien | COA | Putative acyl-CoA hydrolase | / | 0.456 | |
| 4ig0 | 1FG | Gag-Pol polyprotein | 2.7.7.49 | 0.456 | |
| 3ieu | GDP | GTPase Era | / | 0.455 | |
| 3gqv | NAP | Enoyl reductase LovC | 1 | 0.454 | |
| 3gwf | FAD | Cyclohexanone monooxygenase | / | 0.454 | |
| 4hbg | NDP | 3-oxoacyl-[acyl-carrier-protein] reductase | 1.1.1.100 | 0.454 | |
| 1tj0 | FAD | Bifunctional protein PutA | 1.5.5.2 | 0.453 | |
| 1hdc | CBO | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.452 | |
| 4bge | PYW | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.450 | |
| 4g47 | TZF | Mycocyclosin synthase | 1.14.21.9 | 0.450 | |
| 1bws | NDP | GDP-L-fucose synthase | / | 0.449 | |
| 2vw5 | BC6 | ATP-dependent molecular chaperone HSP82 | / | 0.449 | |
| 2yyl | FAD | 4-hydroxyphenylacetate 3-monooxygenase oxygenase component | 1.14.14.9 | 0.449 | |
| 4ktl | 1CQ | Cytochrome P450 | / | 0.449 | |
| 2npa | MMB | Peroxisome proliferator-activated receptor alpha | / | 0.448 | |
| 1dir | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.447 | |
| 2x7h | PFN | Prostaglandin reductase 3 | 1 | 0.447 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.446 | |
| 2xhd | 7T9 | Glutamate receptor 2 | / | 0.446 | |
| 1men | GAR | Trifunctional purine biosynthetic protein adenosine-3 | 2.1.2.2 | 0.445 | |
| 3b70 | NAP | Enoyl reductase LovC | 1 | 0.445 | |
| 3r6s | CMP | CRP-like cAMP-activated global transcriptional regulator | / | 0.445 | |
| 4g6h | NAI | Rotenone-insensitive NADH-ubiquinone oxidoreductase, mitochondrial | 1.6.5.9 | 0.445 | |
| 4jv8 | 1M1 | Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | / | 0.445 | |
| 4nmd | FDA | Bifunctional protein PutA | / | 0.445 | |
| 1c9k | 5GP | Bifunctional adenosylcobalamin biosynthesis protein CobU | / | 0.444 | |
| 2zgz | GNP | Plasmid segregation protein ParM | / | 0.444 | |
| 3i2l | 2NC | Protease | / | 0.444 | |
| 4g2g | TDH | Mycocyclosin synthase | 1.14.21.9 | 0.444 | |
| 4ips | 1G4 | Mycocyclosin synthase | 1.14.21.9 | 0.444 | |
| 1yb5 | NAP | Quinone oxidoreductase | 1.6.5.5 | 0.443 | |
| 4qec | NAP | ElxO | / | 0.443 | |
| 4ri1 | ACO | UDP-4-amino-4,6-dideoxy-N-acetyl-beta-L-altrosamine N-acetyltransferase | 2.3.1.202 | 0.443 | |
| 4tuv | CPZ | Cytochrome P450 119 | 1.14 | 0.443 | |
| 1dhf | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 1k6p | XN3 | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
| 2ojt | UBA | Glutamate receptor ionotropic, kainate 1 | / | 0.442 | |
| 2qa2 | FAD | Polyketide oxygenase CabE | / | 0.442 | |
| 3sm2 | 478 | Putative gag-pro-pol polyprotein | / | 0.442 | |
| 4dc0 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.442 | |
| 5cwa | 0GA | Anthranilate synthase component 1 | 4.1.3.27 | 0.442 | |
| 1byg | STU | Tyrosine-protein kinase CSK | / | 0.441 | |
| 1ivp | 1ZK | Gag-Pol polyprotein | / | 0.441 | |
| 1xe5 | 5FE | Plasmepsin-2 | 3.4.23.39 | 0.441 | |
| 2h3w | COA | Carnitine O-acetyltransferase | 2.3.1.7 | 0.441 | |
| 2z3u | CRR | Cytochrome P450 | / | 0.441 | |
| 3dga | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.441 | |
| 3l9h | EMQ | Kinesin-like protein KIF11 | / | 0.441 | |
| 3tqh | NDP | Quinone oxidoreductase | / | 0.441 | |
| 4nr4 | 2LK | CREB-binding protein | / | 0.441 | |
| 1hxb | ROC | Gag-Pol polyprotein | 3.4.23.16 | 0.440 | |
| 2ch6 | ADP | N-acetyl-D-glucosamine kinase | 2.7.1.59 | 0.440 | |
| 2j14 | GNI | Peroxisome proliferator-activated receptor delta | / | 0.440 | |
| 3cic | 316 | Beta-secretase 1 | 3.4.23.46 | 0.440 | |
| 4hfr | 14M | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.440 | |
| 4xiw | AZM | Carbonic anhydrase, alpha type | / | 0.440 | |
| 5cpb | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.440 | |
| 5f8e | SAH | Possible transcriptional regulatory protein | / | 0.440 |